UCSF

ZINC16839080

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2008 32 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.56 7.96 -36.44 0 8 0 76 428.496 4
Lo Low (pH 4.5-6) 0.56 10.46 -149.91 2 8 2 79 430.512 4

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )